2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid

C9H16N2O4 — CID 131218860

IUPAC2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid
SMILESCC1(C)CC(NC(=O)NCC(=O)O)CO1
InChIInChI=1S/C9H16N2O4/c1-9(2)3-6(5-15-9)11-8(14)10-4-7(12)13/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeyFBYCOCZJNLBKMC-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.06
Rot. Bonds3

About 2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid

2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid (PubChem CID 131218860) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid
PubChem CID131218860
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid
SMILESCC1(C)CC(NC(=O)NCC(=O)O)CO1
InChIInChI=1S/C9H16N2O4/c1-9(2)3-6(5-15-9)11-8(14)10-4-7(12)13/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeyFBYCOCZJNLBKMC-UHFFFAOYSA-N
XLogP-0.06
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea
CID 130792779
N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
CID 11138618
2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 83034492
4-[(2,2-dimethyloxan-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 83029194
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
4-[3-[(5,5-dimethyloxolan-3-yl)amino]-3-oxopropyl]benzoic acid
CID 136552062
3-bromo-5-[(5,5-dimethyloxolan-3-yl)carbamoyl]benzoic acid
CID 136552064
4-[(5,5-dimethyloxolan-3-yl)carbamoyl]-3-fluorobenzoic acid
CID 136552063
3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid
CID 83032728
4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
CID 83032758
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 83028517
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid (CID 131218860) is 2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid is CC1(C)CC(NC(=O)NCC(=O)O)CO1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid?
The InChIKey is FBYCOCZJNLBKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(2)3-6(5-15-9)11-8(14)10-4-7(12)13/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid?
2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 131218860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).